S-(2-azanylethyl) 5-butylpyridine-2-carbothioate

Systemtic Name: S-(2-azanylethyl) 5-butylpyridine-2-carbothioate Openeye Name: S-(2-aminoethyl) 5-butylpyridine-2-carbothioate CAS Name: 5-butyl-2-pyridinecarbothioic acid S-(2-aminoethyl) ester IUPAC Name: S-(2-aminoethyl) 5-butylpyridine-2-carbothioate Traditional Name: 5-butylpyridine-2-carbothioic acid S-(2-aminoethyl) ester Formula: C12H18N2OS MolecularWeight: 238.34912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=C(C=C1)C(=O)SCCN

Isomeric SMILES

CCCCC1=CN=C(C=C1)C(=O)SCCN

InChI

InChI=1S/C12H18N2OS/c1-2-3-4-10-5-6-11(14-9-10)12(15)16-8-7-13/h5-6,9H,2-4,7-8,13H2,1H3